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The paper is motivated by the need for a fast robust adaptive multigrid method to solve complex Helmholtz eigenvalue problems arising from the design of optical chips. A nonlinear multigrid method is developed, which can be regarded as an extension of a previous adaptive Rayleigh quotient minimization method for selfadjoint Helmholtz eigenproblems. Since the complex Helmholtz operator is just a compact nonselfadjoint perturbation of a selfadjoint operator, linear algebra techniques like Schur decomposition can be extended from the finite dimensional case. The efficiency of the derived adaptive nonlinear multigrid method is illustrated by computations for a technologically relevant integrated optics component containing Multi Quantum Well Layers.
{\bf Efficient eigenmode computation for the design of integrated optical chips.}The paper deals with adaptive multigrid methods for 2D Helmholtz eigenvalue problems arising in the design of integrated optical chips. Typical features of the technological problem are its geometric complexity, its multiscale structure, the possible occurrence of eigenvalue clusters, and the necessity of quite stringent required relative error tolerances. For reasons of sheer computational complexity, multigrid methods must be used to solve the discretized eigenvalue problems and adaptive grids must be automatically constructed to avoid an undesirable blow-up of the required number of nodes for these accuracies. In view of the problem specifications, an adaptive multigrid method based on Rayleigh quotient minimization, simultaneous eigenspace iteration, and conjugate gradient method as smoother is carefully selected. Its performance in the numerical simulation of a component of a rather recent optical chip (heterodyne receiver of HHI) is documented.
The paper presents a construction scheme of deriving transparent , i. e. reflection-free, boundary conditions for the numerical solution of Fresnel's equation (being formally equivalent to Schrödinger's equation). These boundary conditions appear to be of a nonlocal Cauchy type. As it turns out, each kind of linear implicit discretization induces its own discrete transparent boundary conditions.
Transparent Boundary Conditions for a Wide-Angle Approximation of the One-Way Helmholtz Equation
(1999)
We present nonlocal discrete transparent boundary conditions for a fourth-order wide-angle approximation of the two-dimensional Helmholtz equation. The boundary conditions are exact in the sense that they supply the same discrete solution on a bounded interior domain as would be obtained by considering the problem on the entire unbounded domain with zero boundary conditions at infinity. The proposed algorithm results in an unconditionally stable propagation method. Numerical examples from optics illustrate the efficiency of our approach.
Reconstruction of photonic crystal geometries using a reduced basis method for nonlinear outputs
(2016)
Maxwell solvers based on the hp-adaptive finite element method allow for accurate geometrical modeling and high numerical accuracy. These features are indispensable for the optimization of optical properties or reconstruction of parameters through inverse processes. High computational complexity prohibits the evaluation of the solution for many parameters. We present a reduced basis method (RBM) for the time-harmonic electromagnetic scattering problem allowing to compute solutions for a parameter configuration orders of magnitude faster. The RBM allows to evaluate linear and nonlinear outputs of interest like Fourier transform or the enhancement of the electromagnetic field in milliseconds. We apply the RBM to compute light-scattering off two dimensional photonic crystal structures made of silicon and reconstruct geometrical parameters.
Optical 3D simulations in many-query and real-time contexts require new solution strategies. We study an adaptive, error controlled reduced basis method for solving parametrized time-harmonic optical scattering problems. Application fields are, among others, design and optimization problems of nano-optical devices as well as inverse problems for parameter reconstructions occuring e. g. in optical metrology. The reduced basis method presented here relies on a finite element modeling of the scattering problem with parametrization of materials, geometries and sources.
Model order reduction for the time-harmonic Maxwell equation applied to complex nanostructures
(2016)
Fields such as optical metrology and computational lithography require fast and efficient methods for solving
the time-harmonic Maxwell’s equation. Highly accurate geometrical modeling and numerical accuracy atcomputational costs are a prerequisite for any simulation study of complex nano-structured photonic devices.
We present a reduced basis method (RBM) for the time-harmonic electromagnetic scattering problem based
on the hp-adaptive finite element solver JCMsuite capable of handling geometric and non-geometric parameter
dependencies allowing for online evaluations in milliseconds. We apply the RBM to compute light-scatteringoptical wavelengths off periodic arrays of fin field-effect transistors (FinFETs) where geometrical properties such
as the width and height of the fin and gate can vary in a large range.
Rigorous optical simulations of 3-dimensional nano-photonic structures are an important tool in the analysis and optimization of scattering properties of nano-photonic devices or parameter reconstruction. To construct geometrically accurate models of complex structured nano-photonic devices the finite element method (FEM) is ideally suited due to its flexibility in the geometrical modeling and superior convergence properties. Reduced order models such as the reduced basis method (RBM) allow to construct self-adaptive, error-controlled, very low dimensional approximations for input-output relationships which can be evaluated orders of magnitude faster than the full model. This is advantageous in applications requiring the solution of Maxwell's equations for multiple parameters or a single parameter but in real time. We present a reduced basis method for 3D Maxwell's equations based on the finite element method which allows variations of geometric as well as material and frequency parameters. We demonstrate accuracy and efficiency of the method for a light scattering problem exhibiting a resonance in the electric field.
In many experimentally realized applications, e.g. photonic crystals, solar cells and light-emitting diodes, nano-photonic systems are coupled to a thick substrate layer, which in certain cases has to be included as a part of the optical system. The finite element method (FEM) yields rigorous, high accuracy solutions of full 3D vectorial Maxwell's equations [1] and allows for great flexibility and accuracy in the geometrical modelling. Time-harmonic FEM solvers have been combined with Fourier methods in domain decomposition algorithms to compute coherent solutions of these coupled system. [2,3] The basic idea of a domain decomposition approach lies in a decomposition of the domain into smaller subdomains, separate calculations of the solutions and coupling of these solutions on adjacent subdomains.
In experiments light sources are often not perfectly monochromatic and hence a comparision to simulation results might only be justified if the simulation results, which include interference patterns in the substrate, are spectrally averaged.
In this contribution we present a scattering matrix domain decomposition algorithm for Maxwell's equations based on FEM. We study its convergence and advantages in the context of optical simulations of silicon thin film multi-junction solar cells. This allows for substrate light-trapping to be included in optical simulations and leads to a more realistic estimation of light path enhancement factors in thin-film devices near the band edge.
Adaptive sampling strategies for efficient parameter scans in nano-photonic device simulations
(2014)
Rigorous optical simulations are an important tool in optimizing scattering properties of nano-photonic devices and are used, for example, in solar cell optimization. The finite element method (FEM) yields rigorous, time-harmonic, high accuracy solutions of the full 3D vectorial Maxwell's equations [1] and furthermore allows for great flexibility and accuracy in the geometrical modeling of these often complex shaped 3D nano-structures. A major drawback of frequency domain methods is the limitation of single frequency evaluations. For example the accurate computation of the short circuit current density of an amorphous silicon / micro-crystalline multi-junction thin film solar cell may require the solution of Maxwell's equations for over a hundred different wavelengths if an equidistant sampling strategy is employed. Also in optical metrology, wavelength scans are frequently used to reconstruct unknown geometrical and material properties of optical systems numerically from measured
scatterometric data.
In our contribution we present several adaptive numerical integration and sampling routines and study their efficiency in the context of the determination of generation rate profiles of solar cells. We show that these strategies lead to a reduction in the computational effort without loss of accuracy. We discuss the employment of tangential information in a Hermite interpolation scheme to achieve similar accuracy on coarser grids. We explore the usability of these strategies for scatterometry and solar cell simulations.
The aim of this paper is to develop fast methods for the solution of nonlinear Schrödinger type equations in fiber optics. Using the method of lines we have to solve a stiff system of ordinary differential equations where the eigenvalues of the Jacobian are close to the imaginary axis. This is usually done by a Split Step method. Here we consider the extrapolation of Split Step methods with adaptive order and step size control. For more complicated nonlinearities, in particular stimulated Raman scattering, Split Step methods are less efficient since symmetry is either destroyed or requires much additional effort. In this case we use implicit Runge Kutta formulas of Gauß type. The key point for the efficient implementation of these methods is that the system of nonlinear algebraic equations can be solved without setting up the Jacobian. The proposed methods are compared to other methods, in particular exponential integrators, the method of Marcuse, and the method of Blow and Wood.
Solving time-harmonic scattering problems based on the pole condition: Convergence of the PML method
(2001)
In this paper we study the PML method for Helmholtz-type scattering problems with radially symmetric potential. The PML method consists in surrounding the computational domain by a \textbf{P}erfectly \textbf{M}atched sponge \textbf{L}ayer. We prove that the approximate solution obtained by the PML method converges exponentially fast to the true solution in the computational domain as the thickness of the sponge layer tends to infinity. This is a generalization of results by Lassas and Somersalo based on boundary integral eqaution techniques. Here we use techniques based on the pole condition instead. This makes it possible to treat problems without an explicitly known fundamental solution.
We present a new efficient algorithm for the solution of direct time-harmonic scattering problems based on the Laplace transform. This method does not rely on an explicit knowledge of a Green function or a series representation of the solution, and it can be used for the solution of problems with radially symmetric potentials and problems with waveguides. The starting point is an alternative characterization of outgoing waves called \emph{pole condition}, which is equivalent to Sommerfeld's radiation condition for problems with radially symmetric potentials. We obtain a new representation formula, which can be used for a numerical evaluation of the exterior field in a postprocessing step. Based on previous theoretical studies, we discuss the numerical realization of our algorithm and compare its performance to the PML method.
The pole condition is a general concept for the theoretical analysis and the numerical solution of a variety of wave propagation problems. It says that the Laplace transform of the physical solution in radial direction has no poles in the lower complex half-plane. In the present paper we show that for the Helmholtz equation with a radially symmetric potential the pole condition is equivalent to Sommerfeld's radiation condition. Moreover, a new representation formula based on the pole condition is derived and used to prove existence, uniqueness and asymptotic properties of solutions. This lays the foundations of a promising new algorithm to solve time-harmonic scattering problems numerically and provides a new approach for analyzing existing algorithms such as the Perfectly Matched Layer (PML) method and the Bayliss-Gunzburger-Turkel (BGT) algorithm.
A new approach to derive transparent boundary conditions (TBCs) for wave, Schrödinger, heat and drift-diffusion equations is presented. It relies on the pole condition and distinguishes between physical reasonable and unreasonable solutions by the location of the singularities of the spatial Laplace transform of the exterior solution. To obtain a numerical algorithm, a Möbius transform is applied to map the Laplace transform onto the unit disc. In the transformed coordinate the solution is expanded into a power series. Finally, equations for the coefficients of the power series are derived. These are coupled to the equation in the interior, and yield transparent boundary conditions. Numerical results are presented in the last section, showing that the error introduced by the new approximate TBCs decays exponentially in the number of coefficients.
We derive exact discrete nonreflecting boundary conditions for time-harmonic scattering problems modeled by the Helmholtz equation. The main idea is to consider the exterior problem as an initial value problem with initial data given on the boundary of the computational domain. The solution of the exterior problem is obtained via Laplace transformation techniques which supply the boundary conditions in terms of discrete Dirichlet-to-Neumann operators.
This report collects a number of proposals to determine the lowest eigensolutions of the scalar Helmholtz equation. The basic routine of all discussed algorithms is the standard Rayleigh quotient minimization process. The minimization is performed in a direct multilevel manner, and a subspace iteration is used to determine simultaneously a couple of eigensolutions. As smoother the nonlinear Gauß-Seidel, the nonlinear conjugate gradient method and a preconditioned version of this method are compared with respect to their efficiency. The numerical examples are based on realistic 1D and 2D models of integrated optics components.
The paper supplies an alternative derivation of the exact boundary conditions needed for the solution of time-harmonic acoustic scattering problems modeled by the Helmholtz equation. The main idea is to consider the exterior domain problem as an initial value problem with initial data given on the boundary of a disc or sphere. The solution of the exterior domain problem is obtained via Laplace transformation techniques, where the asymptotic Sommerfeld radiation condition is reformulated accordingly.
An adaptive approach to the numerical solution of the wave propagation in integrated optics devices with 1D cross sections is described. First, Fresnel's approximation of the exact wave equation resulting from Maxwell's equations is considered. A criterion to estimate the validity of this approximation is derived. Fresnel's wave equation being formally equivalent to Schroedinger's equation uniquely defines an initial-boundary-value problem, which is solved numerically by a stepwise calculation of the propagating field. Discretization in longitudinal direction first with stepsize control leads to a stationary subproblem for the transversal field distribution, which is then handled by an adaptive finite element method. Thus full adaptivity of the algorithm is realized. The numerical examples are concentrated on taper structures playing an essential role in integrated optics devices for telecommunication systems.
We present a family of nonlocal transparent boundary conditions for the 2D Helmholtz equation. The whole domain, on which the Helmholtz equation is defined, is decomposed into an interior and an exterior domain. The corresponding interior Helmholtz problem is formulated as a variational problem in standard manner, representing a boundary value problem, whereas the exterior problem is posed as an initial value problem in the radial variable. This problem is then solved approximately by means of the Laplace transformation. The derived boundary conditions are asymptotically correct, model inhomogeneous exterior domains and are simple to implement.
We present a general technique for constructing nonlocal transparent boundary conditions for time-discretized one-dimensional Schrödinger type equations. The main tool of construction is the discrete counterpart to Mikusi\'nski's continuous algebraic operator approach. Existing techniques are simplified and generalized. Both adaptive time-steps and time-dependent exterior potentials are taken into account.
Transparent Boundary Conditions for Split-Step Pade Approximations of the One-Way Helmholtz Equation
(1999)
In this paper, we generalize the nonlocal discrete transparent boundary condition introduced by Schmidt and Deuflhard {[}Comp. Math. Appl. 29 (1995) 53-76{]} and Schmidt and Yevick {[}J. Comput. Phys. 134 (1997) 96-107{]} to propagation methods based on arbitrary Pad\'e approximations to the two-dimensional one-way Helmholtz equation. Our approach leads to a recursive formula for the coefficients appearing in the nonlocal condition which then yields an unconditionally stable propagation method.
Adaptive Multigrid Methods for the Vectorial Maxwell Eigenvalue Problem for Optical Waveguide Design
(2000)
This paper has been motivated by the need for a fast robust adaptive multigrid method to solve the vectorial Maxwell eigenvalue problem arising from the design of optical chips. Our nonlinear multigrid methods are based on a previous method for the scalar Helmholtz equation, which must be modified to cope with the null space of the Maxwell operator due to the divergence condition. We present two different approaches. First, we present a multigrid algorithm based on an edge element discretization of time-harmonic Maxwell's equations, including the divergence condition. Second, an explicit elimination of longitudinal magnetic components leads to a nodal discretization known to avoid discrete \emph{spurious modes} also and a vectorial eigenvalue problem, for which we present a multigrid solver. Numerical examples show that the edge element discretization clearly outperforms the nodal element approach.
We present a general technique for constructing nonlocal transparent boundary conditions for one-dimensional Schrödinger-type equations. Our method supplies boundary conditions for the $\theta$-family of implicit one-step discretizations of Schrödinger's equation in time. The use of Mikusi\'nski's operator approach in time avoids direct and inverse transforms between time and frequency domains and thus implements the boundary conditions in a direct manner.
We present a domain decomposition approach for the computation of the electromagnetic field within periodic structures. We use a Schwarz method with transparent boundary conditions at the interfaces of the domains. Transparent boundary conditions are approximated by the perfectly matched layer method (PML). To cope with Wood anomalies appearing in periodic structures an adaptive strategy to determine optimal PML parameters is developed. We focus on the application to typical EUV lithography line masks. Light propagation within the multi-layer stack of the EUV mask is treated analytically. This results in a drastic reduction of the computational costs and allows for the simulation of next generation lithography masks on a standard personal computer.
We establish the relationship between the transparent boundary condition (BPP) of Baskakov and Popov [Wave Motion 14 (1991) 121-128] and Pakpadakis et. al. [J. Acoust. Soc. Am. 92 (1992) 2030-2038] and a second boundary condition (SDY) introduced by Schmidt and Deuflhard [Comp. Math. Appl. 29 (1995) 53-76] and Schmidt and Yevick [J. Compu. Phys. 134 (1997) 96-107], that is explicitly tailored to the form of the underlying numerical propagation scheme. Our analysis demonstrates that if the domain is first discretized in the propagation direction, the SDY expression can be obtained by applying the exact sequence of steps used to derive the BPP procedure. The BPP method is thus an approximate realization of the computationally far simpler and unconditionally stable SDY boundary condition.
In this paper we propose a new finite element realization of the Perfectly Matched Layer method (PML-method). Our approach allows to deal with arbitrary shaped polygonal domains and with certain types of inhomogeneous exterior domains. Among the covered inhomogeneities are open waveguide structures playing an essential role in integrated optics. We give a detailed insight to implementation aspects. Numerical examples show exponential convergence behavior to the exact solution with the thickness of the PML sponge layer.